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Compound Detail

CHEMBL1767102

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CCc1cc2c(C(=O)c3ccc(O)cc3)cc(O)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1767102
Phase Preclinical
Structure Type MOL
InChI Key ZAAZVKCSYAJAHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
3.64
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14O4
MW 282.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.39

Literature References

PubMed DOI Target Context # Activities
21449597 10.1021/jm1015022 Solute carrier family 22 member 12 2

Data from ChEMBL 36 via Core Engine